X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
hyde scoring function (24) 24
index medicus (20) 20
biochemistry & molecular biology (16) 16
chemistry, medicinal (15) 15
docking (13) 13
proteins (9) 9
analysis (8) 8
humans (8) 8
inhibitors (8) 8
models, molecular (8) 8
binding sites (7) 7
ligands (7) 7
structure-activity relationship (7) 7
hyde (6) 6
molecular structure (6) 6
protein binding (6) 6
chemistry, multidisciplinary (5) 5
computer science, interdisciplinary applications (5) 5
design (5) 5
drug design (5) 5
drug discovery (5) 5
enzymes (5) 5
molecular docking simulation (5) 5
protein (5) 5
thermodynamics (5) 5
binding (4) 4
biophysics (4) 4
chemistry (4) 4
coupling factor transporter (4) 4
force-field (4) 4
mechanism (4) 4
optimization (4) 4
s-component (4) 4
scoring (4) 4
antiviral agents (3) 3
aspartic acid endopeptidases - chemistry (3) 3
crystallography, x-ray (3) 3
derivatives (3) 3
discovery (3) 3
hydrogen bonding (3) 3
magnetic resonance spectroscopy (3) 3
medicinal chemistry (3) 3
molecular modeling (3) 3
mutation (3) 3
neutron (3) 3
proteases (3) 3
protein conformation (3) 3
proteins - chemistry (3) 3
research (3) 3
to be checked by faculty (3) 3
virtual screening (3) 3
water - chemistry (3) 3
x-ray (3) 3
3-dimensional structure (2) 2
abc transporters (2) 2
algorithms (2) 2
amino acid substitution (2) 2
animal anatomy / morphology / histology (2) 2
animals (2) 2
anti-influenza a and b viruses activity (2) 2
aspartic acid endopeptidases - antagonists & inhibitors (2) 2
bacteria (2) 2
binders (2) 2
binding affinity (2) 2
binding-affinity (2) 2
biological evaluation (2) 2
biology (2) 2
cancer (2) 2
case studies (2) 2
catalytic mechanism (2) 2
cell biology (2) 2
chemistry, organic (2) 2
complex (2) 2
computational biology - methods (2) 2
computer applications in chemistry (2) 2
computer simulation (2) 2
crystal-structure (2) 2
crystal-structures (2) 2
dehydration (2) 2
dehydrogenase complex (2) 2
desiccation (2) 2
design optimization (2) 2
dihydrofolate reductase (2) 2
diversity (2) 2
docking studies (2) 2
drug development (2) 2
drugs (2) 2
dynamic combinatorial chemistry (2) 2
ecf transporter (2) 2
force and energy (2) 2
history and criticism (2) 2
host dhfr inhibition (2) 2
hyde school (2) 2
hydrogen (2) 2
hydrophobic and hydrophilic interactions (2) 2
influenza (2) 2
influenza viruses (2) 2
lactococcus-lactis (2) 2
ligand (2) 2
ligand complexes (2) 2
more...
Library Location Library Location
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Journal Article
Molecular Informatics, ISSN 1868-1743, 07/2012, Volume 31, Issue 6‐7, pp. 503 - 507
Corwin Hansch is well‐known as the father, inventor, and promoter of quantitative structure‐activity relationships. Usually, QSAR is seen as a ligand‐based... 
HYDE | Molecular surface | Scoring | QSAR | logP | WATER PARTITION-COEFFICIENTS | CHEMISTRY, MEDICINAL | RECOGNITION | VALIDATION | POLAR-SOLVENTS | HYDROPHOBICITY | NONELECTROLYTES | SOLUBILITY | MOLECULAR-SURFACE-AREA | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | BINDING-AFFINITY | MATHEMATICAL & COMPUTATIONAL BIOLOGY | FORCE-FIELD
Journal Article
Chemical Science, ISSN 2041-6520, 09/2014, Volume 5, Issue 9, pp. 3543 - 3551
We applied for the first time an innovative ligand-based NMR methodology (STI) to a medicinal-chemistry project aimed at the development of inhibitors for the... 
MEDICINAL CHEMISTRY | LIGAND EFFICIENCY | ISOPRENOID BIOSYNTHESIS | HYDE SCORING FUNCTION | ENZYMES | DRUG DISCOVERY | ESCHERICHIA-COLI | NON-MEVALONATE-PATHWAY | BINDING | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE SYNTHASE | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Proteins: Structure, Function, and Bioinformatics, ISSN 0887-3585, 08/2017, Volume 85, Issue 8, pp. 1550 - 1566
Journal Article
Journal Article
MEDCHEMCOMM, ISSN 2040-2503, 05/2017, Volume 8, Issue 5, pp. 1121 - 1130
Energy-coupling factor (ECF) transporters are involved in the uptake of micronutrients in bacteria. The transporters capture the substrate by high-affinity... 
THIAMINE | BACTERIA | CHEMISTRY, MEDICINAL | ECF TRANSPORTER | S-COMPONENT | HYDE SCORING FUNCTION | BIOCHEMISTRY & MOLECULAR BIOLOGY | FORCE-FIELD | DIVERSITY | PROTEINS | LACTOCOCCUS-LACTIS | COUPLING FACTOR TRANSPORTER
Journal Article